Materials Data on Sr2In4Au3 by Materials Project

Abstract

Sr2Au3In4 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 5-coordinate geometry to five Au and eight In atoms. There are one shorter (3.18 Å) and four longer (3.33 Å) Sr–Au bond lengths. There are four shorter (3.50 Å) and four longer (3.52 Å) Sr–In bond lengths. In the second Sr site, Sr is bonded in a 6-coordinate geometry to six equivalent Au atoms. All Sr–Au bond lengths are 3.47 Å. In the third Sr site, Sr is bonded in a 2-coordinate geometry to six Au and ten In atoms. There are two shorter (3.38 Å) and four longer (3.59 Å) Sr–Au bond lengths. There are a spread of Sr–In bond distances ranging from 3.61–3.91 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three Sr and six In atoms. There are two shorter (2.78 Å) and four longer (3.02 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to four Sr and five In atoms. There are a spread of Au–In bond distances ranging from 2.88–3.00 Å. In the third Au site, Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are a spread of Au–In bond distances ranging from 2.73–2.98 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to three Sr and four Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to four Sr and four Au atoms. In the third In site, In is bonded in a 4-coordinate geometry to three Sr and four Au atoms. In the fourth In site, In is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Au atoms.